2-(5-bromanyl-2-chloranyl-phenyl)-2-(imidazol-1-ylmethyl)dodecanenitrile

Systemtic Name: 2-(5-bromanyl-2-chloranyl-phenyl)-2-(imidazol-1-ylmethyl)dodecanenitrile Openeye Name: 2-(5-bromo-2-chloro-phenyl)-2-(imidazol-1-ylmethyl)dodecanenitrile CAS Name: 2-(5-bromo-2-chlorophenyl)-2-(1-imidazolylmethyl)dodecanenitrile IUPAC Name: 2-(5-bromo-2-chlorophenyl)-2-(imidazol-1-ylmethyl)dodecanenitrile Traditional Name: 2-(5-bromo-2-chloro-phenyl)-2-(imidazol-1-ylmethyl)lauronitrile Formula: C22H29BrClN3 MolecularWeight: 450.84276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CN1C=CN=C1)(C#N)C2=C(C=CC(=C2)Br)Cl

Isomeric SMILES

CCCCCCCCCCC(CN1C=CN=C1)(C#N)C2=C(C=CC(=C2)Br)Cl

InChI

InChI=1S/C22H29BrClN3/c1-2-3-4-5-6-7-8-9-12-22(16-25,17-27-14-13-26-18-27)20-15-19(23)10-11-21(20)24/h10-11,13-15,18H,2-9,12,17H2,1H3